Communication—Microscopic View of the Ethylene Carbonate Based Lithium-Ion Battery Electrolyte by X-ray Scattering

Feng, Zhange; Sarnello, Erik; Li, Tao; Cheng, Lei

doi:10.1149/2.0971816jes

Title: Communication—Microscopic View of the Ethylene Carbonate Based Lithium-Ion Battery Electrolyte by X-ray Scattering

Journal Article · 04 January 2019 · Journal of the Electrochemical Society

DOI: https://doi.org/10.1149/2.0971816jes · OSTI ID:1489715

^[1]; Sarnello, Erik ^[2]; Li, Tao ^[3];

^[4]

Argonne National Lab. (ANL), Argonne, IL (United States). Chemical Science and Engineering
Northern Illinois Univ., DeKalb, IL (United States). Dept. of Chemistry and Biochemistry
Northern Illinois Univ., DeKalb, IL (United States). Dept. of Chemistry and Biochemistry; Argonne National Lab. (ANL), Argonne, IL (United States). X-ray Science Division
Argonne National Lab. (ANL), Argonne, IL (United States). Materials Science Division and Joint Center for Energy Storage Research

Small angle X-ray scattering studies are conducted to gain insight of the microscopic structures on LiPF₆/carbonates battery electrolyte. The result shows that ethylene carbonate (EC), with a cyclic structure, forms nanoclusters of ~1 nm in linear carbonates ethyl methyl carbonate (EMC), diethyl carbonate (DEC), while it fully dissolves in a cyclic carbonate, propylene carbonate (PC). The ion pair of LiPF₆ in carbonates is measured to be ~6 Å in dimension, corresponding to the form of contact ion pair. The new microscopic structure the battery electrolyte reported herein is important for the understanding of non-ideal behavior of LiPF6 carbonate based electrolyte and thus the design of new electrolyte.

View Journal Article

Cite

Export

Save

Research Organization:: Argonne National Laboratory (ANL), Argonne, IL (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: AC02-06CH11357

OSTI ID:: 1489715

Alternate ID(s):: OSTI ID: 1491079

Journal Information:: Journal of the Electrochemical Society, Vol. 166, Issue 2; ISSN 0013-4651

Publisher:: The Electrochemical SocietyCopyright Statement

Country of Publication:: United States

Language:: English

Citation Metrics:

Cited by: 14 works

Citation information provided by
Web of Science

References (16)

Small Angle X-ray Scattering for Nanoparticle Research Li, Tao; Senesi, Andrew J.; Lee, Byeongdu Chemical Reviews, Vol. 116, Issue 18 https://doi.org/10.1021/acs.chemrev.5b00690	journal	April 2016
Ionic Size Stern, Kurt H.; Amis, Edward S. Chemical Reviews, Vol. 59, Issue 1 https://doi.org/10.1021/cr50025a001	journal	February 1959
Evaluating Transport Properties and Ionic Dissociation of LiPF ₆ in Concentrated Electrolyte Feng, Zhange; Higa, Kenneth; Han, Kee Sung Journal of The Electrochemical Society, Vol. 164, Issue 12 https://doi.org/10.1149/2.0941712jes	journal	January 2017
On the correlation between surface chemistry and performance of graphite negative electrodes for Li ion batteries Aurbach, D.; Markovsky, B.; Weissman, I. Electrochimica Acta, Vol. 45, Issue 1-2 https://doi.org/10.1016/S0013-4686(99)00194-2	journal	September 1999
Solvate Structures and Computational/Spectroscopic Characterization of LiPF ₆ Electrolytes Han, Sang-Don; Yun, Sung-Hyun; Borodin, Oleg The Journal of Physical Chemistry C, Vol. 119, Issue 16 https://doi.org/10.1021/acs.jpcc.5b00826	journal	April 2015
Structural and aggregate analyses of (Li salt + glyme) mixtures: the complex nature of solvate ionic liquids Shimizu, Karina; Freitas, Adilson A.; Atkin, Rob Physical Chemistry Chemical Physics, Vol. 17, Issue 34 https://doi.org/10.1039/C5CP03414K	journal	January 2015
Degradation mechanisms in Li-ion batteries: a state-of-the-art review: Degradation Mechanisms in Li-ion Batteries: A State-of-the-Art Review Kabir, M. M.; Demirocak, Dervis Emre International Journal of Energy Research, Vol. 41, Issue 14 https://doi.org/10.1002/er.3762	journal	April 2017
Dielectric Constant, Dipole Moment, and Solubility Parameters of Some Cyclic Acid Esters Chernyak, Yury Journal of Chemical & Engineering Data, Vol. 51, Issue 2 https://doi.org/10.1021/je050341y	journal	March 2006
Relationship between Structural Relaxation, Shear Viscosity, and Ionic Conduction of LiPF ₆ /Propylene Carbonate Solutions Yamaguchi, Tsuyoshi; Yonezawa, Takuya; Yoshida, Koji The Journal of Physical Chemistry B, Vol. 119, Issue 51 https://doi.org/10.1021/acs.jpcb.5b08701	journal	December 2015
A structural study of LiTFSI–tetraglyme mixtures: From diluted solutions to solvated ionic liquids Aguilera, Luis; Xiong, Shizhao; Scheers, Johan Journal of Molecular Liquids, Vol. 210 https://doi.org/10.1016/j.molliq.2015.04.053	journal	October 2015
Electrolytes and Interphasial Chemistry in Li Ion Devices Xu, Kang Energies, Vol. 3, Issue 1 https://doi.org/10.3390/en3010135	journal	January 2010
Role of Mixed Solvation and Ion Pairing in the Solution Structure of Lithium Ion Battery Electrolytes Seo, Daniel M.; Reininger, Stefanie; Kutcher, Mary The Journal of Physical Chemistry C, Vol. 119, Issue 25 https://doi.org/10.1021/acs.jpcc.5b03694	journal	June 2015
Dielectric Constants for Quantum Chemistry and Li-Ion Batteries: Solvent Blends of Ethylene Carbonate and Ethyl Methyl Carbonate Hall, David S.; Self, Julian; Dahn, J. R. The Journal of Physical Chemistry C, Vol. 119, Issue 39 https://doi.org/10.1021/acs.jpcc.5b06022	journal	September 2015
Thermochemical Radii of Complex Ions Roobottom, Helen K.; Jenkins, H. Donald B.; Passmore, Jack Journal of Chemical Education, Vol. 76, Issue 11 https://doi.org/10.1021/ed076p1570	journal	November 1999
Concentration Effects on the Entropy of Electrochemical Lithium Deposition: Implications for Li ⁺ Solvation Schmid, Matthias J.; Xu, Junjie; Lindner, Jeannette The Journal of Physical Chemistry B, Vol. 119, Issue 42 https://doi.org/10.1021/acs.jpcb.5b07670	journal	October 2015
Irena : tool suite for modeling and analysis of small-angle scattering Ilavsky, Jan; Jemian, Peter R. Journal of Applied Crystallography, Vol. 42, Issue 2 https://doi.org/10.1107/S0021889809002222	journal	February 2009